Geometry & MOs

Info

ID:	64094
PubChem CID:	29196103
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	473.177313
ΔH_f, kcal/mol:	20.82
Dipole, Da:	4.69
IP(EA), eV:	-9.55(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[(5R)-2-naphthalen-1-ylimino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CCC3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations